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PubMed code 2391692

Compile data set for download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015924
PNG
(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OCc1cccc(c1)C(=O)OC)=C(COC(C)=O)CS2(=O)=O |t:23|
Show InChI InChI=1S/C20H21NO10S/c1-11(22)30-9-14-10-32(26,27)18-16(28-2)17(23)21(18)15(14)20(25)31-8-12-5-4-6-13(7-12)19(24)29-3/h4-7,16,18H,8-10H2,1-3H3/t16-,18+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015916
PNG
(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OCc1ccccc1)=C(COC(C)=O)CS2(=O)=O |t:19|
Show InChI InChI=1S/C18H19NO8S/c1-11(20)26-9-13-10-28(23,24)17-15(25-2)16(21)19(17)14(13)18(22)27-8-12-6-4-3-5-7-12/h3-7,15,17H,8-10H2,1-2H3/t15-,17+/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015922
PNG
(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OCc1ccc(OC)cc1)=C(COC(C)=O)CS2(=O)=O |t:21|
Show InChI InChI=1S/C19H21NO9S/c1-11(21)28-9-13-10-30(24,25)18-16(27-3)17(22)20(18)15(13)19(23)29-8-12-4-6-14(26-2)7-5-12/h4-7,16,18H,8-10H2,1-3H3/t16-,18+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015913
PNG
(Acetic acid 2-(benzyl-methyl-carbamoyl)-7-methoxy-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)N(C)Cc1ccccc1)=C(COC(C)=O)CS2(=O)=O |t:20|
Show InChI InChI=1S/C19H22N2O7S/c1-12(22)28-10-14-11-29(25,26)19-16(27-3)18(24)21(19)15(14)17(23)20(2)9-13-7-5-4-6-8-13/h4-8,16,19H,9-11H2,1-3H3/t16-,19+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015900
PNG
(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CCOC(=O)COC(=O)C1=C(COC(C)=O)CS(=O)(=O)[C@@H]2[C@@H](OC)C(=O)N12 |c:9|
Show InChI InChI=1S/C15H19NO10S/c1-4-24-10(18)6-26-15(20)11-9(5-25-8(2)17)7-27(21,22)14-12(23-3)13(19)16(11)14/h12,14H,4-7H2,1-3H3/t12-,14+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015904
PNG
(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OCc1ccc(cc1)C(=O)OC)=C(COC(C)=O)CS2(=O)=O |t:23|
Show InChI InChI=1S/C20H21NO10S/c1-11(22)30-9-14-10-32(26,27)18-16(28-2)17(23)21(18)15(14)20(25)31-8-12-4-6-13(7-5-12)19(24)29-3/h4-7,16,18H,8-10H2,1-3H3/t16-,18+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015912
PNG
(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OCCCC(=O)OC)=C(COC(C)=O)CS2(=O)=O |t:18|
Show InChI InChI=1S/C16H21NO10S/c1-9(18)27-7-10-8-28(22,23)15-13(25-3)14(20)17(15)12(10)16(21)26-6-4-5-11(19)24-2/h13,15H,4-8H2,1-3H3/t13-,15+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015909
PNG
(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CCOC(=O)C1=C(COC(C)=O)CS(=O)(=O)[C@@H]2[C@@H](OC)C(=O)N12 |c:5|
Show InChI InChI=1S/C13H17NO8S/c1-4-21-13(17)9-8(5-22-7(2)15)6-23(18,19)12-10(20-3)11(16)14(9)12/h10,12H,4-6H2,1-3H3/t10-,12+/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015921
PNG
(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC)=C(COC(C)=O)CS2(=O)=O |t:12|
Show InChI InChI=1S/C12H15NO8S/c1-6(14)21-4-7-5-22(17,18)11-9(19-2)10(15)13(11)8(7)12(16)20-3/h9,11H,4-5H2,1-3H3/t9-,11+/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015919
PNG
(4-[(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)NCCCC(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:21|
Show InChI InChI=1S/C19H28N2O9S/c1-11(22)29-9-12-10-31(26,27)18-15(28-5)17(25)21(18)14(12)16(24)20-8-6-7-13(23)30-19(2,3)4/h15,18H,6-10H2,1-5H3,(H,20,24)/t15-,18+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015907
PNG
(CHEMBL432765 | [(3-Acetoxymethyl-7-methoxy-5,5,8-t...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)N(C)CC(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:20|
Show InChI InChI=1S/C18H26N2O9S/c1-10(21)28-8-11-9-30(25,26)17-14(27-6)16(24)20(17)13(11)15(23)19(5)7-12(22)29-18(2,3)4/h14,17H,7-9H2,1-6H3/t14-,17+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015920
PNG
(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OCc1ccc(cc1)C(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:23|
Show InChI InChI=1S/C22H27NO8S/c1-13(24)30-11-15-12-32(27,28)20-18(29-5)19(25)23(20)17(15)21(26)31-10-14-6-8-16(9-7-14)22(2,3)4/h6-9,18,20H,10-12H2,1-5H3/t18-,20+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015901
PNG
(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OCc1cccc(c1)C(O)=O)=C(COC(C)=O)CS2(=O)=O |t:22|
Show InChI InChI=1S/C19H19NO10S/c1-10(21)29-8-13-9-31(26,27)17-15(28-2)16(22)20(17)14(13)19(25)30-7-11-4-3-5-12(6-11)18(23)24/h3-6,15,17H,7-9H2,1-2H3,(H,23,24)/t15-,17+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015915
PNG
(4-{[((6R,7S)-3-Acetoxymethyl-7-methoxy-5,5,8-triox...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)N(C)Cc1ccc(cc1)C(O)=O)=C(COC(C)=O)CS2(=O)=O |t:23|
Show InChI InChI=1S/C20H22N2O9S/c1-11(23)31-9-14-10-32(28,29)19-16(30-3)18(25)22(19)15(14)17(24)21(2)8-12-4-6-13(7-5-12)20(26)27/h4-7,16,19H,8-10H2,1-3H3,(H,26,27)/t16-,19+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015923
PNG
(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OCc1ccc(cc1)C(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:26|
Show InChI InChI=1S/C23H27NO10S/c1-13(25)32-11-16-12-35(29,30)20-18(31-5)19(26)24(20)17(16)22(28)33-10-14-6-8-15(9-7-14)21(27)34-23(2,3)4/h6-9,18,20H,10-12H2,1-5H3/t18-,20+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015914
PNG
((6R,7S)-3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5la...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OCc1ccc(cc1)C(O)=O)=C(COC(C)=O)CS2(=O)=O |t:22|
Show InChI InChI=1S/C19H19NO10S/c1-10(21)29-8-13-9-31(26,27)17-15(28-2)16(22)20(17)14(13)19(25)30-7-11-3-5-12(6-4-11)18(23)24/h3-6,15,17H,7-9H2,1-2H3,(H,23,24)/t15-,17+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015918
PNG
(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OCCC(=O)OC)=C(COC(C)=O)CS2(=O)=O |t:17|
Show InChI InChI=1S/C15H19NO10S/c1-8(17)26-6-9-7-27(21,22)14-12(24-3)13(19)16(14)11(9)15(20)25-5-4-10(18)23-2/h12,14H,4-7H2,1-3H3/t12-,14+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015917
PNG
(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)C)=C(COC(C)=O)CS2(=O)=O |t:14|
Show InChI InChI=1S/C14H19NO8S/c1-7(2)23-14(18)10-9(5-22-8(3)16)6-24(19,20)13-11(21-4)12(17)15(10)13/h7,11,13H,5-6H2,1-4H3/t11-,13+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015910
PNG
(Acetic acid 2-tert-butylcarbamoyl-7-methoxy-5,5,8-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)NC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:15|
Show InChI InChI=1S/C15H22N2O7S/c1-8(18)24-6-9-7-25(21,22)14-11(23-5)13(20)17(14)10(9)12(19)16-15(2,3)4/h11,14H,6-7H2,1-5H3,(H,16,19)/t11-,14+/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015902
PNG
(3-[(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)NCCC(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:20|
Show InChI InChI=1S/C18H26N2O9S/c1-10(21)28-8-11-9-30(25,26)17-14(27-5)16(24)20(17)13(11)15(23)19-7-6-12(22)29-18(2,3)4/h14,17H,6-9H2,1-5H3,(H,19,23)/t14-,17+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015879
PNG
(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:15|
Show InChI InChI=1S/C15H21NO8S/c1-8(17)23-6-9-7-25(20,21)13-11(22-5)12(18)16(13)10(9)14(19)24-15(2,3)4/h11,13H,6-7H2,1-5H3/t11-,13+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015905
PNG
(Acetic acid 2-dimethylcarbamoyl-7-methoxy-5,5,8-tr...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)N(C)C)=C(COC(C)=O)CS2(=O)=O |t:13|
Show InChI InChI=1S/C13H18N2O7S/c1-7(16)22-5-8-6-23(19,20)13-10(21-4)12(18)15(13)9(8)11(17)14(2)3/h10,13H,5-6H2,1-4H3/t10-,13+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015903
PNG
(CHEMBL306251 | [((6R,7S)-3-Acetoxymethyl-7-methoxy...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)N(C)CC(O)=O)=C(COC(C)=O)CS2(=O)=O |t:16|
Show InChI InChI=1S/C14H18N2O9S/c1-7(17)25-5-8-6-26(22,23)14-11(24-3)13(21)16(14)10(8)12(20)15(2)4-9(18)19/h11,14H,4-6H2,1-3H3,(H,18,19)/t11-,14+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015906
PNG
(Acetic acid 2-benzylcarbamoyl-7-methoxy-5,5,8-trio...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)NCc1ccccc1)=C(COC(C)=O)CS2(=O)=O |t:19|
Show InChI InChI=1S/C18H20N2O7S/c1-11(21)27-9-13-10-28(24,25)18-15(26-2)17(23)20(18)14(13)16(22)19-8-12-6-4-3-5-7-12/h3-7,15,18H,8-10H2,1-2H3,(H,19,22)/t15-,18+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015911
PNG
(3-[(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)NCCC(O)=O)=C(COC(C)=O)CS2(=O)=O |t:16|
Show InChI InChI=1S/C14H18N2O9S/c1-7(17)25-5-8-6-26(22,23)14-11(24-2)13(21)16(14)10(8)12(20)15-4-3-9(18)19/h11,14H,3-6H2,1-2H3,(H,15,20)(H,18,19)/t11-,14+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015899
PNG
(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(O)=O)=C(COC(C)=O)CS2(=O)=O |t:11|
Show InChI InChI=1S/C11H13NO8S/c1-5(13)20-3-6-4-21(17,18)10-8(19-2)9(14)12(10)7(6)11(15)16/h8,10H,3-4H2,1-2H3,(H,15,16)/t8-,10+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015908
PNG
(CHEMBL312438 | [(3-Acetoxymethyl-7-methoxy-5,5,8-t...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)NCC(O)=O)=C(COC(C)=O)CS2(=O)=O |t:15|
Show InChI InChI=1S/C13H16N2O9S/c1-6(16)24-4-7-5-25(21,22)13-10(23-2)12(20)15(13)9(7)11(19)14-3-8(17)18/h10,13H,3-5H2,1-2H3,(H,14,19)(H,17,18)/t10-,13+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%